(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide

C23H20N4O2 — CID 1370083

IUPAC(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-20-12-10-19(11-13-20)27-25-21-14-9-18(16-22(21)26-27)24-23(28)15-8-17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,24,28)/b15-8+
InChIKeyIZVRMOJCDACZFP-OVCLIPMQSA-N
MW384.44 g/mol
LogP4.47
Rot. Bonds6

About (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide

(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide (PubChem CID 1370083) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
PubChem CID1370083
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-20-12-10-19(11-13-20)27-25-21-14-9-18(16-22(21)26-27)24-23(28)15-8-17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,24,28)/b15-8+
InChIKeyIZVRMOJCDACZFP-OVCLIPMQSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17219787
(E)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1369419
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18901917
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
(E)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17219741
(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 2298596
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
4-oxo-4-[(2-phenylbenzotriazol-5-yl)amino]but-2-enoate
CID 6935967

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide (CID 1370083) is (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide is CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1.
What is the InChIKey of (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide?
The InChIKey is IZVRMOJCDACZFP-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-29-20-12-10-19(11-13-20)27-25-21-14-9-18(16-22(21)26-27)24-23(28)15-8-17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,24,28)/b15-8+.
What are the key properties of (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide?
(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1370083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).